2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine

C27H28F4N2O — CID 68879357

IUPAC2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCCc2cc(C(F)(F)F)cc(-c3ccc(F)cc3)n2)(c2ccccc2)CC1
InChIInChI=1S/C27H28F4N2O/c1-33-14-12-26(13-15-33,21-5-3-2-4-6-21)19-34-16-11-24-17-22(27(29,30)31)18-25(32-24)20-7-9-23(28)10-8-20/h2-10,17-18H,11-16,19H2,1H3
InChIKeySBBVPIJHCIVKKX-UHFFFAOYSA-N
MW472.53 g/mol
LogP6.13
Rot. Bonds7

About 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine

2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine (PubChem CID 68879357) has the molecular formula C27H28F4N2O and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine
PubChem CID68879357
Molecular FormulaC27H28F4N2O
Molecular Weight472.53 g/mol
Exact Mass472.21
IUPAC Name2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCCc2cc(C(F)(F)F)cc(-c3ccc(F)cc3)n2)(c2ccccc2)CC1
InChIInChI=1S/C27H28F4N2O/c1-33-14-12-26(13-15-33,21-5-3-2-4-6-21)19-34-16-11-24-17-22(27(29,30)31)18-25(32-24)20-7-9-23(28)10-8-20/h2-10,17-18H,11-16,19H2,1H3
InChIKeySBBVPIJHCIVKKX-UHFFFAOYSA-N
XLogP6.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine (CID 68879357) is 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine is CN1CCC(COCCc2cc(C(F)(F)F)cc(-c3ccc(F)cc3)n2)(c2ccccc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is SBBVPIJHCIVKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F4N2O/c1-33-14-12-26(13-15-33,21-5-3-2-4-6-21)19-34-16-11-24-17-22(27(29,30)31)18-25(32-24)20-7-9-23(28)10-8-20/h2-10,17-18H,11-16,19H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine?
2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 472.53 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 68879357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).